-
Name
C-ISOXAZOL-3-YL-METHYLAMINE
- EINECS
- CAS No. 131052-58-9
- Article Data2
- CAS DataBase
- Density 1.148 g/cm3
- Solubility
- Melting Point
- Formula C4H6N2O
- Boiling Point 206.994 °C at 760 mmHg
- Molecular Weight 98.1044
- Flash Point 78.988 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-(Aminomethyl)isoxazole;3-Isoxazolylmethanamine;[(Isoxazol-3-yl)methyl]amine;
- PSA 52.05000
- LogP 1.63560
3-Isoxazolemethanamine Specification
The 3-Isoxazolemethanamine, with the CAS registry number 131052-58-9, is also known as (Isoxazol-3-ylmethyl)amine. This chemical's molecular formula is C4H6N2O and molecular weight is 98.1032. Its systematic name is called 1-(1,2-oxazol-3-yl)methanamine.
Physical properties of 3-Isoxazolemethanamine: (1)ACD/LogP: 0.04; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.499; (10)Molar Refractivity: 25.095 cm3; (11)Molar Volume: 85.44 cm3; (12)Surface Tension: 44.964 dyne/cm; (13)Density: 1.148 g/cm3; (14)Flash Point: 78.988 °C; (15)Enthalpy of Vaporization: 44.324 kJ/mol; (16)Boiling Point: 206.994 °C at 760 mmHg; (17)Vapour Pressure: 0.231 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCc1ccon1
(2)InChI: InChI=1/C4H6N2O/c5-3-4-1-2-7-6-4/h1-2H,3,5H2
(3)InChIKey: NRYCMMCUURADTR-UHFFFAOYAP
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